4-Isopropoxyaniline
TL;DR: 4-Isopropoxyaniline (CAS 7664-66-6) is a chemical compound with molecular formula C9H13NO and molecular weight 151.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-yloxyaniline
Also Known As: 4-Isopropoxyaniline, p-Isopropoxyaniline, 4-(propan-2-yloxy)aniline, 4-Isopropoxybenzenamine, 4-propan-2-yloxyaniline
| Molecular Formula | C9H13NO |
|---|---|
| Molecular Weight | 151.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.09972 |
| Heavy Atoms | 11 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 7664-66-6 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)N |
| InChIKey | MLNFMFAMNBGAQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isopropoxyaniline (CAS 7664-66-6), with molecular formula C9H13NO and molecular weight 151.10 g/mol. IUPAC: 4-propan-2-yloxyaniline.
Chemical Property Profile of 4-Isopropoxyaniline
Property Insights of 4-Isopropoxyaniline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropoxyaniline. With a topological polar surface area (TPSA) of 35.3 Ų, 4-Isopropoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropoxyaniline has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Isopropoxyaniline?
The CAS number of 4-Isopropoxyaniline is 7664-66-6.
What is the molecular formula of 4-Isopropoxyaniline?
The molecular formula of 4-Isopropoxyaniline is C9H13NO.
What is the molecular weight of 4-Isopropoxyaniline?
The molecular weight of 4-Isopropoxyaniline is 151.10 g/mol.
Where can I buy 4-Isopropoxyaniline?
You can request a quote for 4-Isopropoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.